SCHEMBL5578869

SCHEMBL5578869

O=C(c1c(Cl)cc(Cl)cc1Cl)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
NOTUM Q6P988 1/20 0.40
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CRHR1 P34998 2/20 0.37
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
CYP2D6 P10635 1/20 0.37
CSNK1D P48730 1/20 0.37
NPY2R P49146 1/20 0.36
CRHR2 Q13324 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5578622 0.90 OPRM1 (0.43) OPRM1OPRK1OPRL1NOTUMDRD2
SCHEMBL5579018 0.88 OPRM1 (0.43) OPRM1OPRK1OPRL1NOTUMDRD2
SCHEMBL5578880 0.87 KDM2B (0.42) OPRM1OPRK1OPRL1CRHR1AXL
SCHEMBL5578605 0.86 OPRM1 (0.45) OPRM1OPRK1OPRL1NOTUMDRD2
SCHEMBL5578544 0.86 SIGMAR1 (0.47) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL5578985 0.86 KDM2B (0.44) OPRM1OPRK1OPRL1NOTUM
SCHEMBL5578473 0.85 OPRM1 (0.44) OPRM1OPRK1OPRL1NOTUMDRD2
SCHEMBL5578896 0.84 OPRM1 (0.45) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL5579306 0.84 HDAC1 (0.48) OPRM1OPRK1OPRL1DRD2HTR2A
SCHEMBL13000278 0.83 NOTUM (0.50) OPRM1OPRK1OPRL1NOTUMDRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP disclosed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL OPRM1 630/4885OPRK1 131/4885OPRL1 240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.